SCHEMBL793239

SCHEMBL793239

COC(=O)c1c(F)cc(I)cc1Cl.COC(=O)c1c(F)cc(N)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 2/20 0.39
MAPT P10636 4/20 0.37
GAA P10253 3/20 0.36
POLB P06746 1/20 0.36
ALPL P05186 1/20 0.36
NR1H4 Q96RI1 2/20 0.35
ABL1 P00519 1/20 0.35
MEN1 O00255 1/20 0.35
CASP3 P42574 1/20 0.35
KMT2A Q03164 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
CGAS Q8N884 1/20 0.34
CFTR P13569 1/20 0.34
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 2/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL792634 0.91 NQO2 (0.44) NQO2MAPTGAAPOLBALPL
SCHEMBL793209 0.91 MAPT (0.39) MAPTGAAPOLBALPLMEN1
SCHEMBL1707046 0.79 NQO2 (0.50) NQO2MAPTGAANR1H4ABL1
SCHEMBL5967903 0.79 GAA (0.43) MAPTGAAPOLBALPLABL1
SCHEMBL879309 0.79 CA12 (0.42) MAPTGAAPOLBABL1MEN1
SCHEMBL28027131 0.79 NQO2 (0.44) NQO2MAPTGAANR1H4ABL1
SCHEMBL20644102 0.75 ACLY (0.46) MAPTGAAPOLBALPLABL1
SCHEMBL22996828 0.73 CYP3A4 (0.47) MAPTGAAPOLBMEN1KMT2A
SCHEMBL793325 0.73 KDM4E (0.48) MAPTGAAPOLBMEN1CASP3
SCHEMBL879348 0.73 CYP3A4 (0.47) MAPTGAAPOLBABL1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2616072-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F.HOFFMANN-LA ROCHE AG (CH) 2013-07-24 EP disclosed
US-20120202788-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-08-09 US disclosed
WO-2012035039-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-03-22 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120202788-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F12, CHRM1, NPY1R NQO2 403/4885MAPT 71/4885GAA 2142/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.